SCHEMBL3683652

SCHEMBL3683652

C=C(C)C(=O)OCCCC(C)(CCOC(=O)C(=C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
THRB P10828 1/20 0.43
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18492454 0.93 THRB (0.48) TSHRTHRBPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18492403 0.91 THRB (0.47) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3640638 0.90 TSHR (0.59) TSHRTHRBPOLBAPEX1HTT
SCHEMBL31502688 0.85 TSHR (0.43) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3685382 0.83 TSHR (0.53) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3685685 0.82 THRB (0.42) TSHRTHRBPOLBAPEX1HTT
SCHEMBL30935401 0.81 TSHR (0.55) TSHRTHRBPOLBAPEX1HTT
SCHEMBL1108012 0.80 TSHR (0.58) TSHRTHRBPOLBAPEX1HTT
SCHEMBL9610669 0.79 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT
Fluoride SCHEMBL28254640 0.79 TSHR (0.56) TSHRTHRBPOLBAPEX1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2162419-B1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE EVONIK ROEHM GMBH (DE) 2014-07-23 EP disclosed
EP-2162419-A1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE Evonik Röhm GmbH (DE) 2010-03-17 EP disclosed
WO-2009003745-A1 METHOD FOR PRODUCING ETHYLENE GLYCOL DIMETHACRYLATE EVONIK RÖHM GMBH (DE) 2009-01-08 WO disclosed